Geometry & MOs

Info

ID:

102726

PubChem CID:

50069486

Reduced:

FN6O6C37H43 (1)

Stoich.:

AB6C6D37E43 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-237.06

Dipole, Da:

12.32

IP(EA), eV:

 -8.82(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N(C)C)OC

DOS

IR

Vibrations